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CAS 14529-55-6 3,5-Dibromo-1-ethylpyridin-2(1H)-one molecular structure lightbox
CAS RN: 14529-55-6

3,5-Dibromo-1-ethylpyridin-2(1H)-one

  • Product code: SSC-056624
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14529-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry

14529-55-6 / 3,5-dibromo-1-ethylpyridin-2-one

Standard CAS: 14529-55-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14529-55-6
Multi CAS
No
Molecular Formula
C7H7Br2NO
Molecular Weight
280.940000
Exact Mass
280.887390
SMILES
CCN1C=C(C=C(C1=O)Br)Br
InChI
InChI=1S/C7H7Br2NO/c1-2-10-4-5(8)3-6(9)7(10)11/h3-4H,2H2,1H3
InChIKey
WTDRJXNYUURJDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.78
TPSA
22

LogP / Solubility

WLOGP
2.39
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.2
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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